Sugi Predict

Sugi Predict / Compounds / SCHEMBL2806003

SCHEMBL2806003

SCHEMBL2806003

O=S(=O)(NC1CCc2c(cnc3[nH]ncc23)C1)c1ccccc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 5/20 0.41
▸ ADRA2A P08913 4/20 0.41
▸ NPY5R Q15761 4/20 0.41
▸ ALPL P05186 1/20 0.39
▸ SLC40A1 Q9NP59 1/20 0.37
▸ RB1 P06400 1/20 0.36
▸ AKR1C3 P42330 1/20 0.35
▸ GSPT1 P15170 1/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ SLC22A12 Q96S37 3/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ BCHE P06276 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2803100 0.86 SLC22A12 (0.38) SLC40A1RB1SLC22A12BRD4
SCHEMBL2804182 0.85 SGK1 (0.43) RB1HTR6
SCHEMBL2809052 0.83 KIT (0.43) RB1
SCHEMBL2803149 0.83 ALDH1A1 (0.47) RB1JAK2JAK1TYK2JAK3
SCHEMBL2807827 0.83 PAK1 (0.36) RB1CA1CA2ACHEBRD4
SCHEMBL2806231 0.80 KDM4E (0.37) RB1CA1CA2
SCHEMBL2489862 0.80 RB1 (0.43) RB1CA1CA2HTR6
SCHEMBL2802832 0.80 USP30 (0.43) RB1BRD4
SCHEMBL2805067 0.80 SGK1 (0.41) SLC40A1RB1AKR1C3
SCHEMBL2803946 0.79 HDAC8 (0.50) RB1BRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 MCHR1 4757/4885ADRA2A 2327/4885NPY5R 1426/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.